1-benzyl-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
1-benzyl-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
1-benzyl-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8009-9246 |
| Compound Name: | 1-benzyl-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 219.2 |
| Molecular Formula: | C9 H9 N5 O2 |
| Smiles: | C(c1ccccc1)n1c[n+](cn1)[N-][N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.4461 |
| logD: | 0.4461 |
| logSw: | -1.327 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.555 |
| InChI Key: | KBSNLESVRCOMDP-UHFFFAOYSA-N |